1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine
TL;DR: 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine (CAS 873578-62-2) is a chemical compound with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethyl-5-nitrophenyl)sulfonylpyrrolidine
Also Known As: 1-(3,4-dimethyl-5-nitrobenzenesulfonyl)pyrrolidine, 1-(3,4-dimethyl-5-nitrophenyl)sulfonylpyrrolidine, 1,2-dimethyl-3-nitro-5-(pyrrolidinylsulfonyl)benzene
| Molecular Formula | C12H16N2O4S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 1.99614 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.08307 |
| Heavy Atoms | 19 |
| Complexity | 618.8617 |
Chemical Identifiers
| CAS Number | 873578-62-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)N2CCCC2 |
Product Overview
1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine (CAS 873578-62-2), with molecular formula C12H16N2O4S and molecular weight 284.08 g/mol. IUPAC: 1-(3,4-dimethyl-5-nitrophenyl)sulfonylpyrrolidine.
Chemical Property Profile of 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine
Property Insights of 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine
The XLogP value of 1.99614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine. Following Lipinski's Rule of Five, 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine?
The CAS number of 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine is 873578-62-2.
What is the molecular formula of 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine?
The molecular formula of 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine is C12H16N2O4S.
What is the molecular weight of 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine?
The molecular weight of 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine is 284.08 g/mol.
Where can I buy 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine?
You can request a quote for 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethyl-5-nitrobenzenesulfonyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.